CID 13542526

3-methyl-5-benzofuranol

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

CC1=COC2=C1C=C(C=C2)O

InChI

InChI=1S/C9H8O2/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,10H,1H3

InChIKey

CFWUXOWTWHWMSB-UHFFFAOYSA-N

Compound name

3-methyl-1-benzofuran-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 148.05243 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.05971	124.9
[M+Na]+	171.04165	139.5
[M+NH4]+	166.08625	134.7
[M+K]+	187.01559	135.0
[M-H]-	147.04515	128.7
[M+Na-2H]-	169.02710	131.8
[M]+	148.05188	128.1
[M]-	148.05298	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe